3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

C21H26N2O2 — CID 17397484

IUPAC3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1C
InChIInChI=1S/C21H26N2O2/c1-16-3-8-20(13-17(16)2)21(24)22-14-18-4-6-19(7-5-18)15-23-9-11-25-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24)
InChIKeyZXCDWZNEMRNRJY-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.07
Rot. Bonds5

About 3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 17397484) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID17397484
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1C
InChIInChI=1S/C21H26N2O2/c1-16-3-8-20(13-17(16)2)21(24)22-14-18-4-6-19(7-5-18)15-23-9-11-25-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24)
InChIKeyZXCDWZNEMRNRJY-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 78876482
3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 60571005
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 56921966
4,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 31445799
3-fluoro-4-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8546489
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 94013989
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
3,4-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 96545359
N-(2-aminoethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 84614014

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (CID 17397484) is 3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is ZXCDWZNEMRNRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-3-8-20(13-17(16)2)21(24)22-14-18-4-6-19(7-5-18)15-23-9-11-25-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24).
What are the key properties of 3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 17397484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).